N-(cyclopropylmethyl)-N,1-dimethylpyridin-1-ium-4-amine

C11H17N2+ — CID 143948010

IUPACN-(cyclopropylmethyl)-N,1-dimethylpyridin-1-ium-4-amine
SMILESCN(CC1CC1)c1cc[n+](C)cc1
InChIInChI=1S/C11H17N2/c1-12-7-5-11(6-8-12)13(2)9-10-3-4-10/h5-8,10H,3-4,9H2,1-2H3/q+1
InChIKeyUAIXSCSKBRUTQF-UHFFFAOYSA-N
MW177.27 g/mol
LogP1.36
Rot. Bonds3

About N-(cyclopropylmethyl)-N,1-dimethylpyridin-1-ium-4-amine

N-(cyclopropylmethyl)-N,1-dimethylpyridin-1-ium-4-amine (PubChem CID 143948010) has the molecular formula C11H17N2+ and a molecular weight of 177.27 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N,1-dimethylpyridin-1-ium-4-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N,1-dimethylpyridin-1-ium-4-amine
PubChem CID143948010
Molecular FormulaC11H17N2+
Molecular Weight177.27 g/mol
Exact Mass177.14
IUPAC NameN-(cyclopropylmethyl)-N,1-dimethylpyridin-1-ium-4-amine
SMILESCN(CC1CC1)c1cc[n+](C)cc1
InChIInChI=1S/C11H17N2/c1-12-7-5-11(6-8-12)13(2)9-10-3-4-10/h5-8,10H,3-4,9H2,1-2H3/q+1
InChIKeyUAIXSCSKBRUTQF-UHFFFAOYSA-N
XLogP1.36
TPSA7.12 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.27
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

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N-[(3-aminocyclopentyl)methyl]-N-methylaniline
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4-(aminomethyl)-N-(cyclohexylmethyl)-N-methylaniline
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CID 115239811
4-[(4-bromo-N-methylanilino)methyl]cyclohexane-1-carboxylic acid
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4-[(1S)-1-aminoethyl]-N-methyl-N-(oxan-4-ylmethyl)aniline
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4-[(4-fluoro-N-methylanilino)methyl]cyclohexan-1-one
CID 115240065
4-(1-aminoethyl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]aniline
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CID 62129636

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N,1-dimethylpyridin-1-ium-4-amine?
The IUPAC name of N-(cyclopropylmethyl)-N,1-dimethylpyridin-1-ium-4-amine (CID 143948010) is N-(cyclopropylmethyl)-N,1-dimethylpyridin-1-ium-4-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-N,1-dimethylpyridin-1-ium-4-amine?
The canonical SMILES for N-(cyclopropylmethyl)-N,1-dimethylpyridin-1-ium-4-amine is CN(CC1CC1)c1cc[n+](C)cc1.
What is the InChIKey of N-(cyclopropylmethyl)-N,1-dimethylpyridin-1-ium-4-amine?
The InChIKey is UAIXSCSKBRUTQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N2/c1-12-7-5-11(6-8-12)13(2)9-10-3-4-10/h5-8,10H,3-4,9H2,1-2H3/q+1.
What are the key properties of N-(cyclopropylmethyl)-N,1-dimethylpyridin-1-ium-4-amine?
N-(cyclopropylmethyl)-N,1-dimethylpyridin-1-ium-4-amine has a molecular weight of 177.27 g/mol, XLogP of 1.36, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N,1-dimethylpyridin-1-ium-4-amine is sourced from PubChem (CID 143948010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).